2-[4-(morpholin-4-ylmethyl)phenyl]guanidine

C12H18N4O — CID 68861466

IUPAC2-[4-(morpholin-4-ylmethyl)phenyl]guanidine
SMILESNC(N)=Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C12H18N4O/c13-12(14)15-11-3-1-10(2-4-11)9-16-5-7-17-8-6-16/h1-4H,5-9H2,(H4,13,14,15)
InChIKeyMWIYIRFJQACQKB-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.42
Rot. Bonds3

About 2-[4-(morpholin-4-ylmethyl)phenyl]guanidine

2-[4-(morpholin-4-ylmethyl)phenyl]guanidine (PubChem CID 68861466) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[4-(morpholin-4-ylmethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-[4-(morpholin-4-ylmethyl)phenyl]guanidine
PubChem CID68861466
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[4-(morpholin-4-ylmethyl)phenyl]guanidine
SMILESNC(N)=Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C12H18N4O/c13-12(14)15-11-3-1-10(2-4-11)9-16-5-7-17-8-6-16/h1-4H,5-9H2,(H4,13,14,15)
InChIKeyMWIYIRFJQACQKB-UHFFFAOYSA-N
XLogP0.42
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide
CID 155586454
[4-(morpholin-4-ylmethyl)phenyl] carbamate
CID 175493722
2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine
CID 89193384
2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 110913818
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
[4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol
CID 112631236
4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline
CID 159454325
4-(1,4-oxazepan-4-ylmethyl)aniline
CID 62988786
3-[4-(morpholin-4-ylmethyl)phenyl]propan-1-amine
CID 83384330
2-[4-(morpholin-4-ylmethyl)phenyl]propan-2-amine
CID 82026958
2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]phenol
CID 135758569

Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholin-4-ylmethyl)phenyl]guanidine?
The IUPAC name of 2-[4-(morpholin-4-ylmethyl)phenyl]guanidine (CID 68861466) is 2-[4-(morpholin-4-ylmethyl)phenyl]guanidine.
What is the SMILES notation for 2-[4-(morpholin-4-ylmethyl)phenyl]guanidine?
The canonical SMILES for 2-[4-(morpholin-4-ylmethyl)phenyl]guanidine is NC(N)=Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-[4-(morpholin-4-ylmethyl)phenyl]guanidine?
The InChIKey is MWIYIRFJQACQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-12(14)15-11-3-1-10(2-4-11)9-16-5-7-17-8-6-16/h1-4H,5-9H2,(H4,13,14,15).
What are the key properties of 2-[4-(morpholin-4-ylmethyl)phenyl]guanidine?
2-[4-(morpholin-4-ylmethyl)phenyl]guanidine has a molecular weight of 234.30 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholin-4-ylmethyl)phenyl]guanidine is sourced from PubChem (CID 68861466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).